La3(CrGe)4
Alexandria ALEXAlex-ID: agm002145642 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_0_spg71
La3Ge5 Cr LaGe
2018-07-04 18:44:06
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002145642).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm002145642
data_agm002145642
_cell_length_a 4.26261
_cell_length_b 4.40712
_cell_length_c 13.11705
_cell_angle_alpha 99.66377
_cell_angle_beta 99.36759
_cell_angle_gamma 90.00262
_cell_volume 239.58331
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cr1 Cr 0.40168 0.90205 0.80436 1.00000
Cr2 Cr 0.25099 0.25082 0.50161 1.00000
Cr3 Cr 0.74943 0.74924 0.49840 1.00000
Cr4 Cr 0.59806 0.09789 0.19565 1.00000
Ge1 Ge 0.44992 0.44942 0.89919 1.00000
Ge2 Ge 0.54965 0.55050 0.10081 1.00000
Ge3 Ge 0.30222 0.80189 0.60388 1.00000
Ge4 Ge 0.69818 0.19817 0.39613 1.00000
La1 La 0.85241 0.35229 0.70420 1.00000
La2 La 0.14764 0.64770 0.29577 1.00000
La3 La 0.99972 0.99995 1.00000 1.00000
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